KST-1B6601
TL;DR: KST-1B6601 (CAS 6318-92-9) is a chemical compound with molecular formula C16H17ClN4O6 and molecular weight 396.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-chloro-7-methyl-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4-dione
Also Known As: KST-1B6601, 1-(8-chloro-7-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2h)-yl)-1-deoxypentitol, 8-Chloro-7-methyl-10-(2,3,4,5-tetrahydroxy-pentyl)-10H-benzo[g]pteridine-2,4-dione, 1-(8-Chloro-4-hydroxy-7-methyl-2-oxobenzo[g]pteridin-10(2H)-yl)-1-deoxypentitol, 8-chloro-7-methyl-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4-dione
| Molecular Formula | C16H17ClN4O6 |
|---|---|
| Molecular Weight | 396.08 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.08365 |
| Heavy Atoms | 27 |
| Complexity | 686.0 |
Chemical Identifiers
| CAS Number | 6318-92-9 |
|---|---|
| SMILES | CC1=CC2=C(C=C1Cl)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O |
| InChIKey | JANFBIHPDDCAJV-UHFFFAOYSA-N |
Product Overview
KST-1B6601 (CAS 6318-92-9), with molecular formula C16H17ClN4O6 and molecular weight 396.08 g/mol. IUPAC: 8-chloro-7-methyl-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4-dione.
Chemical Property Profile of KST-1B6601
Property Insights of KST-1B6601
The XLogP value of -1.2 indicates that KST-1B6601 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 155.0 Ų indicates high polarity, suggesting KST-1B6601 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, KST-1B6601 has 5 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of KST-1B6601?
The CAS number of KST-1B6601 is 6318-92-9.
What is the molecular formula of KST-1B6601?
The molecular formula of KST-1B6601 is C16H17ClN4O6.
What is the molecular weight of KST-1B6601?
The molecular weight of KST-1B6601 is 396.08 g/mol.
Where can I buy KST-1B6601?
You can request a quote for KST-1B6601 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1B6601?
Yes, KEHONG BIO provides custom synthesis services for KST-1B6601 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.